USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 LYS NZ :NH3+ -158:sc= 1.1 (180deg=0) USER MOD Set 1.2: A 79 GLN : amide:sc= 0.656 K(o=1.8,f=-4.5) USER MOD Single : A 7 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.46) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -94:sc= 1.01 USER MOD Single : A 13 ASN : amide:sc= 0.147 K(o=0.15,f=-5.3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.069 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.109 USER MOD Single : A 37 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.7!) USER MOD Single : A 40 GLN : amide:sc= 0.413 K(o=0.41,f=-11!) USER MOD Single : A 44 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.38) USER MOD Single : A 45 SER OG : rot 180:sc= 0.13 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.757 K(o=-0.76,f=-1.5) USER MOD Single : A 56 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.22) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.8! C(o=-1.8!,f=-4.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.489 K(o=-0.49,f=-1.4!) USER MOD Single : A 73 THR OG1 : rot -78:sc= 1.23 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -10.058 -0.365 -2.549 1.00 2.01 N ATOM 58 CA GLU A 5 -11.418 0.036 -2.921 1.00 1.95 C ATOM 59 C GLU A 5 -11.434 0.616 -4.333 1.00 2.02 C ATOM 60 O GLU A 5 -11.497 1.834 -4.523 1.00 2.45 O ATOM 61 CB GLU A 5 -11.987 1.051 -1.922 1.00 2.25 C ATOM 62 CG GLU A 5 -11.968 0.569 -0.479 1.00 2.50 C ATOM 63 CD GLU A 5 -12.421 -0.870 -0.327 1.00 3.01 C ATOM 64 OE1 GLU A 5 -13.647 -1.115 -0.313 1.00 3.44 O ATOM 65 OE2 GLU A 5 -11.553 -1.763 -0.207 1.00 3.47 O ATOM 0 HA GLU A 5 -12.050 -0.852 -2.898 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -11.416 1.977 -1.994 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -13.013 1.287 -2.203 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -10.958 0.670 -0.082 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -12.612 1.212 0.121 1.00 2.50 H new ATOM 72 N ALA A 6 -11.384 -0.275 -5.317 1.00 1.93 N ATOM 73 CA ALA A 6 -11.284 0.120 -6.718 1.00 2.21 C ATOM 74 C ALA A 6 -12.535 0.856 -7.179 1.00 1.87 C ATOM 75 O ALA A 6 -13.652 0.343 -7.062 1.00 2.34 O ATOM 76 CB ALA A 6 -11.035 -1.100 -7.595 1.00 3.01 C ATOM 0 H ALA A 6 -11.411 -1.284 -5.169 1.00 1.93 H new ATOM 0 HA ALA A 6 -10.440 0.803 -6.813 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -10.963 -0.790 -8.637 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -10.104 -1.581 -7.294 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -11.860 -1.804 -7.482 1.00 3.01 H new ATOM 82 N GLN A 7 -12.335 2.050 -7.722 1.00 1.57 N ATOM 83 CA GLN A 7 -13.438 2.896 -8.160 1.00 1.65 C ATOM 84 C GLN A 7 -13.968 2.449 -9.521 1.00 1.53 C ATOM 85 O GLN A 7 -13.902 3.185 -10.505 1.00 1.80 O ATOM 86 CB GLN A 7 -13.000 4.364 -8.218 1.00 2.14 C ATOM 87 CG GLN A 7 -13.830 5.284 -7.335 1.00 2.64 C ATOM 88 CD GLN A 7 -15.319 5.019 -7.452 1.00 3.04 C ATOM 89 OE1 GLN A 7 -15.961 5.430 -8.420 1.00 3.51 O ATOM 90 NE2 GLN A 7 -15.876 4.327 -6.471 1.00 3.49 N ATOM 0 H GLN A 7 -11.412 2.457 -7.870 1.00 1.57 H new ATOM 0 HA GLN A 7 -14.244 2.798 -7.432 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -11.954 4.434 -7.919 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -13.061 4.712 -9.249 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -13.523 5.159 -6.297 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -13.627 6.320 -7.605 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -15.308 4.005 -5.687 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -16.873 4.115 -6.499 1.00 3.49 H new ATOM 99 N TYR A 8 -14.492 1.237 -9.569 1.00 1.48 N ATOM 100 CA TYR A 8 -15.102 0.709 -10.778 1.00 1.47 C ATOM 101 C TYR A 8 -16.546 0.333 -10.479 1.00 1.56 C ATOM 102 O TYR A 8 -17.453 1.142 -10.678 1.00 2.27 O ATOM 103 CB TYR A 8 -14.319 -0.506 -11.286 1.00 1.61 C ATOM 104 CG TYR A 8 -14.608 -0.877 -12.726 1.00 1.62 C ATOM 105 CD1 TYR A 8 -14.780 0.095 -13.702 1.00 1.71 C ATOM 106 CD2 TYR A 8 -14.699 -2.209 -13.109 1.00 1.79 C ATOM 107 CE1 TYR A 8 -15.030 -0.250 -15.018 1.00 1.89 C ATOM 108 CE2 TYR A 8 -14.952 -2.562 -14.420 1.00 2.00 C ATOM 109 CZ TYR A 8 -15.117 -1.580 -15.371 1.00 2.01 C ATOM 110 OH TYR A 8 -15.356 -1.931 -16.681 1.00 2.32 O ATOM 0 H TYR A 8 -14.507 0.594 -8.777 1.00 1.48 H new ATOM 0 HA TYR A 8 -15.082 1.468 -11.560 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -13.253 -0.306 -11.182 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -14.546 -1.362 -10.650 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -14.718 1.138 -13.429 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -14.569 -2.983 -12.367 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -15.156 0.519 -15.766 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -15.020 -3.603 -14.698 1.00 2.00 H new ATOM 0 HH TYR A 8 -15.386 -2.908 -16.758 1.00 2.32 H new ATOM 120 N VAL A 9 -16.740 -0.893 -9.987 1.00 1.35 N ATOM 121 CA VAL A 9 -18.043 -1.375 -9.524 1.00 1.47 C ATOM 122 C VAL A 9 -18.993 -1.657 -10.689 1.00 1.51 C ATOM 123 O VAL A 9 -19.517 -2.762 -10.807 1.00 2.13 O ATOM 124 CB VAL A 9 -18.709 -0.389 -8.533 1.00 1.74 C ATOM 125 CG1 VAL A 9 -20.102 -0.865 -8.149 1.00 2.00 C ATOM 126 CG2 VAL A 9 -17.843 -0.218 -7.291 1.00 2.05 C ATOM 0 H VAL A 9 -15.994 -1.583 -9.898 1.00 1.35 H new ATOM 0 HA VAL A 9 -17.850 -2.311 -9.000 1.00 1.47 H new ATOM 0 HB VAL A 9 -18.805 0.578 -9.027 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -20.550 -0.156 -7.452 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -20.722 -0.936 -9.043 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -20.034 -1.845 -7.676 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -18.325 0.478 -6.604 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -17.716 -1.183 -6.800 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -16.867 0.173 -7.579 1.00 2.05 H new ATOM 136 N ALA A 10 -19.208 -0.660 -11.538 1.00 1.41 N ATOM 137 CA ALA A 10 -20.115 -0.786 -12.671 1.00 1.50 C ATOM 138 C ALA A 10 -19.427 -1.467 -13.850 1.00 1.34 C ATOM 139 O ALA A 10 -18.547 -0.883 -14.485 1.00 1.73 O ATOM 140 CB ALA A 10 -20.638 0.581 -13.086 1.00 2.09 C ATOM 0 H ALA A 10 -18.761 0.254 -11.461 1.00 1.41 H new ATOM 0 HA ALA A 10 -20.956 -1.407 -12.362 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -21.314 0.470 -13.934 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -21.173 1.034 -12.252 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -19.802 1.220 -13.370 1.00 2.09 H new ATOM 146 N PRO A 11 -19.814 -2.718 -14.142 1.00 1.24 N ATOM 147 CA PRO A 11 -19.276 -3.487 -15.248 1.00 1.52 C ATOM 148 C PRO A 11 -20.164 -3.381 -16.492 1.00 1.50 C ATOM 149 O PRO A 11 -20.085 -2.404 -17.237 1.00 1.83 O ATOM 150 CB PRO A 11 -19.273 -4.912 -14.680 1.00 1.87 C ATOM 151 CG PRO A 11 -20.232 -4.904 -13.517 1.00 1.88 C ATOM 152 CD PRO A 11 -20.796 -3.510 -13.409 1.00 1.45 C ATOM 0 HA PRO A 11 -18.295 -3.146 -15.580 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -19.584 -5.633 -15.436 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -18.273 -5.200 -14.357 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -21.030 -5.630 -13.672 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -19.721 -5.184 -12.596 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -21.789 -3.438 -13.853 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -20.886 -3.187 -12.372 1.00 1.45 H new ATOM 160 N THR A 12 -21.002 -4.387 -16.717 1.00 1.33 N ATOM 161 CA THR A 12 -21.973 -4.336 -17.798 1.00 1.44 C ATOM 162 C THR A 12 -23.343 -3.928 -17.259 1.00 1.40 C ATOM 163 O THR A 12 -23.734 -2.762 -17.343 1.00 1.90 O ATOM 164 CB THR A 12 -22.090 -5.694 -18.515 1.00 1.69 C ATOM 165 OG1 THR A 12 -22.053 -6.757 -17.553 1.00 1.79 O ATOM 166 CG2 THR A 12 -20.965 -5.877 -19.522 1.00 2.04 C ATOM 0 H THR A 12 -21.027 -5.245 -16.165 1.00 1.33 H new ATOM 0 HA THR A 12 -21.625 -3.595 -18.518 1.00 1.44 H new ATOM 0 HB THR A 12 -23.039 -5.717 -19.050 1.00 1.69 H new ATOM 0 HG1 THR A 12 -21.132 -7.078 -17.455 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.071 -6.844 -20.014 1.00 2.04 H new ATOM 0 HG22 THR A 12 -21.011 -5.083 -20.268 1.00 2.04 H new ATOM 0 HG23 THR A 12 -20.005 -5.835 -19.007 1.00 2.04 H new ATOM 174 N ASN A 13 -24.058 -4.887 -16.685 1.00 1.11 N ATOM 175 CA ASN A 13 -25.382 -4.632 -16.138 1.00 1.23 C ATOM 176 C ASN A 13 -25.529 -5.259 -14.759 1.00 1.03 C ATOM 177 O ASN A 13 -24.576 -5.825 -14.223 1.00 1.32 O ATOM 178 CB ASN A 13 -26.472 -5.154 -17.079 1.00 1.71 C ATOM 179 CG ASN A 13 -26.460 -6.662 -17.234 1.00 1.80 C ATOM 180 OD1 ASN A 13 -26.944 -7.395 -16.371 1.00 2.19 O ATOM 181 ND2 ASN A 13 -25.911 -7.134 -18.343 1.00 2.24 N ATOM 0 H ASN A 13 -23.741 -5.851 -16.587 1.00 1.11 H new ATOM 0 HA ASN A 13 -25.500 -3.553 -16.040 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -27.446 -4.842 -16.703 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -26.347 -4.694 -18.059 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -25.878 -8.140 -18.507 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -25.521 -6.491 -19.033 1.00 2.24 H new ATOM 188 N ALA A 14 -26.741 -5.175 -14.214 1.00 1.04 N ATOM 189 CA ALA A 14 -27.032 -5.575 -12.838 1.00 1.05 C ATOM 190 C ALA A 14 -26.596 -7.001 -12.510 1.00 0.96 C ATOM 191 O ALA A 14 -26.200 -7.281 -11.382 1.00 0.91 O ATOM 192 CB ALA A 14 -28.515 -5.408 -12.557 1.00 1.42 C ATOM 0 H ALA A 14 -27.555 -4.825 -14.719 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.446 -4.920 -12.194 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.727 -5.707 -11.531 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -28.796 -4.364 -12.696 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -29.088 -6.033 -13.243 1.00 1.42 H new ATOM 198 N VAL A 15 -26.665 -7.902 -13.483 1.00 1.05 N ATOM 199 CA VAL A 15 -26.295 -9.294 -13.242 1.00 1.12 C ATOM 200 C VAL A 15 -24.812 -9.405 -12.883 1.00 0.97 C ATOM 201 O VAL A 15 -24.419 -10.237 -12.065 1.00 0.96 O ATOM 202 CB VAL A 15 -26.598 -10.190 -14.460 1.00 1.38 C ATOM 203 CG1 VAL A 15 -26.312 -11.652 -14.141 1.00 1.45 C ATOM 204 CG2 VAL A 15 -28.043 -10.021 -14.905 1.00 1.99 C ATOM 0 H VAL A 15 -26.970 -7.699 -14.435 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.899 -9.642 -12.404 1.00 1.12 H new ATOM 0 HB VAL A 15 -25.945 -9.881 -15.276 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -26.533 -12.265 -15.015 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -25.262 -11.767 -13.873 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -26.936 -11.971 -13.307 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -28.236 -10.662 -15.765 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -28.710 -10.299 -14.089 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -28.220 -8.981 -15.180 1.00 1.99 H new ATOM 214 N GLU A 16 -23.999 -8.547 -13.480 1.00 0.95 N ATOM 215 CA GLU A 16 -22.569 -8.553 -13.221 1.00 0.94 C ATOM 216 C GLU A 16 -22.261 -7.833 -11.911 1.00 0.83 C ATOM 217 O GLU A 16 -21.391 -8.252 -11.146 1.00 0.86 O ATOM 218 CB GLU A 16 -21.820 -7.896 -14.379 1.00 1.06 C ATOM 219 CG GLU A 16 -20.390 -8.377 -14.516 1.00 1.37 C ATOM 220 CD GLU A 16 -19.947 -8.459 -15.958 1.00 1.45 C ATOM 221 OE1 GLU A 16 -19.731 -7.399 -16.583 1.00 1.53 O ATOM 222 OE2 GLU A 16 -19.816 -9.584 -16.474 1.00 1.93 O ATOM 0 H GLU A 16 -24.306 -7.838 -14.147 1.00 0.95 H new ATOM 0 HA GLU A 16 -22.236 -9.587 -13.132 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -22.354 -8.096 -15.308 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -21.821 -6.815 -14.237 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -19.729 -7.702 -13.973 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -20.294 -9.359 -14.052 1.00 1.37 H new ATOM 229 N SER A 17 -22.987 -6.755 -11.648 1.00 0.83 N ATOM 230 CA SER A 17 -22.822 -6.007 -10.412 1.00 0.89 C ATOM 231 C SER A 17 -23.193 -6.865 -9.202 1.00 0.85 C ATOM 232 O SER A 17 -22.529 -6.811 -8.165 1.00 0.88 O ATOM 233 CB SER A 17 -23.673 -4.739 -10.456 1.00 1.09 C ATOM 234 OG SER A 17 -24.005 -4.404 -11.793 1.00 1.48 O ATOM 0 H SER A 17 -23.697 -6.379 -12.276 1.00 0.83 H new ATOM 0 HA SER A 17 -21.774 -5.725 -10.312 1.00 0.89 H new ATOM 0 HB2 SER A 17 -24.584 -4.886 -9.876 1.00 1.09 H new ATOM 0 HB3 SER A 17 -23.130 -3.915 -9.993 1.00 1.09 H new ATOM 0 HG SER A 17 -24.551 -3.590 -11.800 1.00 1.48 H new ATOM 240 N LYS A 18 -24.246 -7.669 -9.345 1.00 0.85 N ATOM 241 CA LYS A 18 -24.680 -8.561 -8.274 1.00 0.92 C ATOM 242 C LYS A 18 -23.671 -9.689 -8.065 1.00 0.84 C ATOM 243 O LYS A 18 -23.492 -10.171 -6.949 1.00 0.85 O ATOM 244 CB LYS A 18 -26.082 -9.118 -8.568 1.00 1.07 C ATOM 245 CG LYS A 18 -26.104 -10.409 -9.379 1.00 1.38 C ATOM 246 CD LYS A 18 -26.779 -11.537 -8.617 1.00 1.76 C ATOM 247 CE LYS A 18 -26.095 -12.870 -8.870 1.00 2.42 C ATOM 248 NZ LYS A 18 -27.074 -13.978 -9.011 1.00 2.96 N ATOM 0 H LYS A 18 -24.813 -7.720 -10.191 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.733 -7.986 -7.349 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.593 -9.292 -7.621 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -26.653 -8.360 -9.104 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -26.628 -10.240 -10.319 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -25.084 -10.699 -9.631 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -26.764 -11.316 -7.550 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -27.826 -11.602 -8.914 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -25.491 -12.802 -9.775 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -25.414 -13.090 -8.048 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -26.567 -14.870 -9.182 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -27.633 -14.060 -8.138 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -27.708 -13.781 -9.811 1.00 2.96 H new ATOM 262 N LEU A 19 -23.012 -10.097 -9.142 1.00 0.82 N ATOM 263 CA LEU A 19 -21.956 -11.098 -9.061 1.00 0.84 C ATOM 264 C LEU A 19 -20.791 -10.547 -8.251 1.00 0.80 C ATOM 265 O LEU A 19 -20.268 -11.212 -7.353 1.00 0.82 O ATOM 266 CB LEU A 19 -21.484 -11.489 -10.462 1.00 0.96 C ATOM 267 CG LEU A 19 -21.200 -12.981 -10.658 1.00 1.16 C ATOM 268 CD1 LEU A 19 -22.486 -13.734 -10.954 1.00 1.73 C ATOM 269 CD2 LEU A 19 -20.188 -13.193 -11.776 1.00 1.81 C ATOM 0 H LEU A 19 -23.191 -9.749 -10.084 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.348 -11.988 -8.568 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -22.241 -11.181 -11.183 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.578 -10.929 -10.693 1.00 0.96 H new ATOM 0 HG LEU A 19 -20.776 -13.373 -9.733 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -22.265 -14.793 -11.090 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -23.179 -13.612 -10.121 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -22.939 -13.338 -11.863 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -20.000 -14.260 -11.899 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -20.583 -12.784 -12.706 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -19.256 -12.687 -11.524 1.00 1.81 H new ATOM 281 N ALA A 20 -20.413 -9.314 -8.561 1.00 0.82 N ATOM 282 CA ALA A 20 -19.356 -8.625 -7.839 1.00 0.91 C ATOM 283 C ALA A 20 -19.713 -8.481 -6.367 1.00 0.84 C ATOM 284 O ALA A 20 -18.844 -8.539 -5.508 1.00 0.87 O ATOM 285 CB ALA A 20 -19.095 -7.261 -8.460 1.00 1.08 C ATOM 0 H ALA A 20 -20.828 -8.768 -9.315 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.446 -9.221 -7.911 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -18.301 -6.756 -7.909 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.792 -7.386 -9.500 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -20.004 -6.662 -8.417 1.00 1.08 H new ATOM 291 N GLU A 21 -20.999 -8.309 -6.085 1.00 0.85 N ATOM 292 CA GLU A 21 -21.473 -8.182 -4.711 1.00 0.94 C ATOM 293 C GLU A 21 -21.086 -9.404 -3.881 1.00 0.84 C ATOM 294 O GLU A 21 -20.569 -9.275 -2.772 1.00 0.85 O ATOM 295 CB GLU A 21 -22.992 -7.999 -4.685 1.00 1.13 C ATOM 296 CG GLU A 21 -23.452 -6.627 -5.151 1.00 1.72 C ATOM 297 CD GLU A 21 -24.933 -6.405 -4.936 1.00 2.05 C ATOM 298 OE1 GLU A 21 -25.680 -7.402 -4.833 1.00 2.14 O ATOM 299 OE2 GLU A 21 -25.360 -5.232 -4.856 1.00 2.69 O ATOM 0 H GLU A 21 -21.734 -8.254 -6.790 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.999 -7.303 -4.275 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -23.451 -8.760 -5.316 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.352 -8.167 -3.670 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -22.892 -5.859 -4.617 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -23.221 -6.511 -6.210 1.00 1.72 H new ATOM 306 N ILE A 22 -21.325 -10.590 -4.427 1.00 0.83 N ATOM 307 CA ILE A 22 -21.024 -11.825 -3.709 1.00 0.91 C ATOM 308 C ILE A 22 -19.519 -12.058 -3.626 1.00 0.82 C ATOM 309 O ILE A 22 -18.975 -12.322 -2.552 1.00 0.86 O ATOM 310 CB ILE A 22 -21.672 -13.062 -4.372 1.00 1.09 C ATOM 311 CG1 ILE A 22 -22.936 -12.679 -5.149 1.00 1.25 C ATOM 312 CG2 ILE A 22 -21.994 -14.113 -3.321 1.00 1.40 C ATOM 313 CD1 ILE A 22 -23.202 -13.568 -6.348 1.00 1.91 C ATOM 0 H ILE A 22 -21.723 -10.724 -5.357 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.441 -11.702 -2.710 1.00 0.91 H new ATOM 0 HB ILE A 22 -20.957 -13.478 -5.082 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -23.793 -12.723 -4.477 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -22.847 -11.646 -5.485 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -22.450 -14.979 -3.800 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.076 -14.418 -2.818 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -22.687 -13.696 -2.590 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -24.112 -13.239 -6.850 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -22.362 -13.506 -7.040 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -23.323 -14.599 -6.017 1.00 1.91 H new ATOM 325 N TRP A 23 -18.850 -11.934 -4.760 1.00 0.79 N ATOM 326 CA TRP A 23 -17.437 -12.275 -4.855 1.00 0.84 C ATOM 327 C TRP A 23 -16.559 -11.304 -4.068 1.00 0.82 C ATOM 328 O TRP A 23 -15.694 -11.725 -3.304 1.00 0.94 O ATOM 329 CB TRP A 23 -17.009 -12.313 -6.321 1.00 0.90 C ATOM 330 CG TRP A 23 -17.545 -13.507 -7.050 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.379 -13.507 -8.131 1.00 1.26 C ATOM 332 CD2 TRP A 23 -17.295 -14.881 -6.737 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.654 -14.797 -8.514 1.00 1.33 N ATOM 334 CE2 TRP A 23 -18.000 -15.658 -7.675 1.00 1.14 C ATOM 335 CE3 TRP A 23 -16.539 -15.532 -5.757 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -17.972 -17.050 -7.659 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -16.514 -16.914 -5.745 1.00 1.16 C ATOM 338 CH2 TRP A 23 -17.225 -17.658 -6.689 1.00 1.24 C ATOM 0 H TRP A 23 -19.262 -11.599 -5.631 1.00 0.79 H new ATOM 0 HA TRP A 23 -17.303 -13.262 -4.412 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.351 -11.405 -6.818 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -15.920 -12.317 -6.377 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -18.766 -12.622 -8.614 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.249 -15.069 -9.297 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.985 -14.965 -5.023 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -18.521 -17.629 -8.387 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -15.934 -17.428 -4.992 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -17.184 -18.737 -6.652 1.00 1.24 H new ATOM 349 N GLU A 24 -16.800 -10.013 -4.240 1.00 0.80 N ATOM 350 CA GLU A 24 -15.976 -8.988 -3.616 1.00 0.93 C ATOM 351 C GLU A 24 -16.187 -8.956 -2.101 1.00 0.90 C ATOM 352 O GLU A 24 -15.226 -8.921 -1.338 1.00 1.04 O ATOM 353 CB GLU A 24 -16.277 -7.620 -4.254 1.00 1.20 C ATOM 354 CG GLU A 24 -16.193 -6.437 -3.300 1.00 1.75 C ATOM 355 CD GLU A 24 -17.117 -5.297 -3.687 1.00 2.29 C ATOM 356 OE1 GLU A 24 -18.324 -5.366 -3.375 1.00 2.78 O ATOM 357 OE2 GLU A 24 -16.645 -4.334 -4.327 1.00 2.65 O ATOM 0 H GLU A 24 -17.564 -9.649 -4.810 1.00 0.80 H new ATOM 0 HA GLU A 24 -14.927 -9.228 -3.788 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -15.579 -7.457 -5.075 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -17.277 -7.649 -4.687 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -16.440 -6.772 -2.292 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -15.166 -6.072 -3.272 1.00 1.75 H new ATOM 364 N ARG A 25 -17.438 -9.001 -1.665 1.00 0.97 N ATOM 365 CA ARG A 25 -17.740 -8.872 -0.244 1.00 1.16 C ATOM 366 C ARG A 25 -17.331 -10.117 0.544 1.00 1.21 C ATOM 367 O ARG A 25 -16.849 -10.010 1.672 1.00 1.50 O ATOM 368 CB ARG A 25 -19.228 -8.597 -0.030 1.00 1.41 C ATOM 369 CG ARG A 25 -19.667 -7.206 -0.463 1.00 1.99 C ATOM 370 CD ARG A 25 -18.761 -6.124 0.104 1.00 2.67 C ATOM 371 NE ARG A 25 -18.696 -4.952 -0.767 1.00 3.12 N ATOM 372 CZ ARG A 25 -18.668 -3.693 -0.334 1.00 3.67 C ATOM 373 NH1 ARG A 25 -18.638 -3.433 0.968 1.00 3.90 N ATOM 374 NH2 ARG A 25 -18.633 -2.693 -1.208 1.00 4.40 N ATOM 0 H ARG A 25 -18.253 -9.124 -2.266 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.158 -8.029 0.128 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -19.807 -9.338 -0.581 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -19.464 -8.729 1.026 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -19.666 -7.147 -1.551 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -20.692 -7.030 -0.135 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -19.125 -5.825 1.087 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -17.758 -6.528 0.244 1.00 2.67 H new ATOM 0 HE ARG A 25 -18.670 -5.109 -1.775 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -18.636 -4.199 1.641 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -18.617 -2.467 1.295 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -18.628 -2.890 -2.209 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -18.612 -1.728 -0.878 1.00 4.40 H new ATOM 388 N VAL A 26 -17.517 -11.292 -0.046 1.00 1.11 N ATOM 389 CA VAL A 26 -17.258 -12.542 0.662 1.00 1.34 C ATOM 390 C VAL A 26 -15.865 -13.097 0.359 1.00 1.36 C ATOM 391 O VAL A 26 -15.042 -13.260 1.263 1.00 1.78 O ATOM 392 CB VAL A 26 -18.319 -13.613 0.326 1.00 1.54 C ATOM 393 CG1 VAL A 26 -18.095 -14.876 1.145 1.00 2.01 C ATOM 394 CG2 VAL A 26 -19.723 -13.071 0.559 1.00 1.66 C ATOM 0 H VAL A 26 -17.844 -11.406 -1.005 1.00 1.11 H new ATOM 0 HA VAL A 26 -17.313 -12.306 1.725 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.217 -13.868 -0.729 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -18.855 -15.615 0.890 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -17.107 -15.281 0.926 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -18.162 -14.638 2.207 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.455 -13.841 0.316 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -19.833 -12.782 1.604 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -19.887 -12.201 -0.077 1.00 1.66 H new ATOM 404 N LEU A 27 -15.596 -13.370 -0.909 1.00 1.20 N ATOM 405 CA LEU A 27 -14.356 -14.036 -1.300 1.00 1.40 C ATOM 406 C LEU A 27 -13.257 -13.026 -1.608 1.00 1.42 C ATOM 407 O LEU A 27 -12.477 -13.200 -2.547 1.00 1.89 O ATOM 408 CB LEU A 27 -14.602 -14.932 -2.516 1.00 1.51 C ATOM 409 CG LEU A 27 -14.240 -16.404 -2.317 1.00 2.02 C ATOM 410 CD1 LEU A 27 -15.484 -17.221 -1.994 1.00 2.17 C ATOM 411 CD2 LEU A 27 -13.539 -16.950 -3.552 1.00 2.85 C ATOM 0 H LEU A 27 -16.217 -13.142 -1.686 1.00 1.20 H new ATOM 0 HA LEU A 27 -14.024 -14.649 -0.462 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -15.655 -14.866 -2.790 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -14.029 -14.543 -3.357 1.00 1.51 H new ATOM 0 HG LEU A 27 -13.554 -16.482 -1.473 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -15.207 -18.266 -1.856 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -15.941 -16.842 -1.079 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -16.196 -17.140 -2.815 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -13.288 -17.999 -3.394 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -14.199 -16.861 -4.415 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -12.627 -16.382 -3.733 1.00 2.85 H new ATOM 423 N GLY A 28 -13.187 -11.980 -0.800 1.00 1.29 N ATOM 424 CA GLY A 28 -12.187 -10.956 -1.005 1.00 1.52 C ATOM 425 C GLY A 28 -12.165 -9.945 0.120 1.00 1.37 C ATOM 426 O GLY A 28 -11.095 -9.577 0.606 1.00 1.73 O ATOM 0 H GLY A 28 -13.806 -11.822 -0.005 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.205 -11.422 -1.092 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.382 -10.444 -1.947 1.00 1.52 H new ATOM 430 N VAL A 29 -13.353 -9.478 0.507 1.00 1.31 N ATOM 431 CA VAL A 29 -13.523 -8.509 1.594 1.00 1.31 C ATOM 432 C VAL A 29 -13.186 -7.095 1.112 1.00 1.43 C ATOM 433 O VAL A 29 -13.845 -6.123 1.489 1.00 1.90 O ATOM 434 CB VAL A 29 -12.677 -8.877 2.844 1.00 1.49 C ATOM 435 CG1 VAL A 29 -12.450 -7.672 3.748 1.00 1.78 C ATOM 436 CG2 VAL A 29 -13.341 -10.005 3.619 1.00 1.92 C ATOM 0 H VAL A 29 -14.231 -9.763 0.073 1.00 1.31 H new ATOM 0 HA VAL A 29 -14.571 -8.539 1.893 1.00 1.31 H new ATOM 0 HB VAL A 29 -11.701 -9.213 2.494 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -11.854 -7.971 4.610 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -11.922 -6.896 3.194 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -13.411 -7.285 4.087 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -12.737 -10.252 4.492 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.333 -9.690 3.942 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -13.430 -10.883 2.979 1.00 1.92 H new ATOM 446 N SER A 30 -12.170 -6.993 0.268 1.00 1.40 N ATOM 447 CA SER A 30 -11.773 -5.725 -0.320 1.00 1.56 C ATOM 448 C SER A 30 -12.762 -5.309 -1.406 1.00 1.53 C ATOM 449 O SER A 30 -13.289 -6.156 -2.125 1.00 2.21 O ATOM 450 CB SER A 30 -10.371 -5.860 -0.910 1.00 1.76 C ATOM 451 OG SER A 30 -9.781 -7.103 -0.546 1.00 1.94 O ATOM 0 H SER A 30 -11.600 -7.785 -0.027 1.00 1.40 H new ATOM 0 HA SER A 30 -11.770 -4.957 0.453 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.421 -5.781 -1.996 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.745 -5.040 -0.559 1.00 1.76 H new ATOM 0 HG SER A 30 -8.885 -7.167 -0.937 1.00 1.94 H new ATOM 457 N GLY A 31 -13.006 -4.009 -1.526 1.00 1.30 N ATOM 458 CA GLY A 31 -13.975 -3.521 -2.490 1.00 1.27 C ATOM 459 C GLY A 31 -13.444 -3.505 -3.911 1.00 1.21 C ATOM 460 O GLY A 31 -13.174 -2.439 -4.469 1.00 1.58 O ATOM 0 H GLY A 31 -12.550 -3.284 -0.973 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -14.867 -4.147 -2.449 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -14.280 -2.512 -2.211 1.00 1.27 H new ATOM 464 N ILE A 32 -13.289 -4.682 -4.497 1.00 1.13 N ATOM 465 CA ILE A 32 -12.858 -4.793 -5.880 1.00 1.29 C ATOM 466 C ILE A 32 -14.047 -5.096 -6.783 1.00 1.38 C ATOM 467 O ILE A 32 -14.412 -6.253 -6.999 1.00 2.01 O ATOM 468 CB ILE A 32 -11.772 -5.879 -6.063 1.00 1.71 C ATOM 469 CG1 ILE A 32 -10.513 -5.501 -5.284 1.00 2.68 C ATOM 470 CG2 ILE A 32 -11.438 -6.075 -7.536 1.00 2.03 C ATOM 471 CD1 ILE A 32 -9.819 -4.258 -5.810 1.00 3.56 C ATOM 0 H ILE A 32 -13.456 -5.575 -4.034 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.422 -3.834 -6.160 1.00 1.29 H new ATOM 0 HB ILE A 32 -12.163 -6.819 -5.675 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -10.777 -5.344 -4.238 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -9.814 -6.337 -5.314 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -10.672 -6.844 -7.636 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -12.334 -6.383 -8.074 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -11.069 -5.138 -7.953 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -8.934 -4.053 -5.207 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -9.523 -4.418 -6.847 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -10.501 -3.410 -5.755 1.00 3.56 H new ATOM 483 N GLY A 33 -14.661 -4.041 -7.296 1.00 1.59 N ATOM 484 CA GLY A 33 -15.781 -4.205 -8.193 1.00 1.93 C ATOM 485 C GLY A 33 -15.342 -4.539 -9.603 1.00 1.81 C ATOM 486 O GLY A 33 -15.263 -3.650 -10.451 1.00 2.28 O ATOM 0 H GLY A 33 -14.402 -3.073 -7.106 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -16.430 -4.997 -7.819 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -16.371 -3.289 -8.206 1.00 1.93 H new ATOM 490 N ILE A 34 -15.012 -5.814 -9.828 1.00 1.73 N ATOM 491 CA ILE A 34 -14.681 -6.341 -11.159 1.00 1.78 C ATOM 492 C ILE A 34 -13.257 -5.977 -11.597 1.00 1.93 C ATOM 493 O ILE A 34 -12.539 -6.829 -12.118 1.00 2.58 O ATOM 494 CB ILE A 34 -15.695 -5.866 -12.233 1.00 1.94 C ATOM 495 CG1 ILE A 34 -17.092 -6.424 -11.937 1.00 2.07 C ATOM 496 CG2 ILE A 34 -15.245 -6.278 -13.631 1.00 2.43 C ATOM 497 CD1 ILE A 34 -17.184 -7.936 -12.010 1.00 2.67 C ATOM 0 H ILE A 34 -14.966 -6.515 -9.089 1.00 1.73 H new ATOM 0 HA ILE A 34 -14.741 -7.426 -11.072 1.00 1.78 H new ATOM 0 HB ILE A 34 -15.738 -4.777 -12.197 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -17.397 -6.100 -10.942 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -17.801 -5.993 -12.644 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -15.974 -5.933 -14.364 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -14.274 -5.832 -13.847 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -15.165 -7.364 -13.682 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -18.204 -8.250 -11.788 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -16.912 -8.269 -13.012 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -16.502 -8.378 -11.283 1.00 2.67 H new ATOM 509 N LEU A 35 -12.878 -4.719 -11.363 1.00 1.70 N ATOM 510 CA LEU A 35 -11.594 -4.147 -11.806 1.00 1.89 C ATOM 511 C LEU A 35 -10.430 -5.144 -11.756 1.00 1.85 C ATOM 512 O LEU A 35 -10.053 -5.726 -12.776 1.00 2.19 O ATOM 513 CB LEU A 35 -11.251 -2.927 -10.944 1.00 2.03 C ATOM 514 CG LEU A 35 -10.912 -1.634 -11.700 1.00 1.96 C ATOM 515 CD1 LEU A 35 -9.590 -1.068 -11.214 1.00 2.44 C ATOM 516 CD2 LEU A 35 -10.877 -1.857 -13.207 1.00 2.46 C ATOM 0 H LEU A 35 -13.460 -4.054 -10.853 1.00 1.70 H new ATOM 0 HA LEU A 35 -11.724 -3.864 -12.851 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -12.095 -2.726 -10.284 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -10.403 -3.184 -10.309 1.00 2.03 H new ATOM 0 HG LEU A 35 -11.702 -0.912 -11.493 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -9.364 -0.152 -11.760 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -9.658 -0.849 -10.148 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -8.798 -1.797 -11.385 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -10.634 -0.920 -13.708 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -10.120 -2.604 -13.447 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -11.852 -2.207 -13.546 1.00 2.46 H new ATOM 528 N ASP A 36 -9.861 -5.331 -10.574 1.00 1.95 N ATOM 529 CA ASP A 36 -8.686 -6.179 -10.427 1.00 2.14 C ATOM 530 C ASP A 36 -9.073 -7.651 -10.398 1.00 1.49 C ATOM 531 O ASP A 36 -9.691 -8.127 -9.446 1.00 1.80 O ATOM 532 CB ASP A 36 -7.907 -5.821 -9.158 1.00 3.20 C ATOM 533 CG ASP A 36 -6.410 -5.984 -9.335 1.00 3.75 C ATOM 534 OD1 ASP A 36 -5.867 -5.501 -10.353 1.00 4.20 O ATOM 535 OD2 ASP A 36 -5.768 -6.604 -8.462 1.00 4.01 O ATOM 0 H ASP A 36 -10.192 -4.909 -9.706 1.00 1.95 H new ATOM 0 HA ASP A 36 -8.046 -6.004 -11.292 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -8.127 -4.791 -8.878 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -8.244 -6.454 -8.337 1.00 3.20 H new ATOM 540 N ASN A 37 -8.713 -8.368 -11.451 1.00 1.38 N ATOM 541 CA ASN A 37 -9.002 -9.793 -11.544 1.00 1.74 C ATOM 542 C ASN A 37 -7.980 -10.583 -10.735 1.00 1.40 C ATOM 543 O ASN A 37 -6.886 -10.871 -11.216 1.00 1.90 O ATOM 544 CB ASN A 37 -8.978 -10.241 -13.009 1.00 2.65 C ATOM 545 CG ASN A 37 -10.310 -10.025 -13.712 1.00 3.55 C ATOM 546 OD1 ASN A 37 -10.871 -10.947 -14.295 1.00 4.12 O ATOM 547 ND2 ASN A 37 -10.830 -8.807 -13.657 1.00 4.13 N ATOM 0 H ASN A 37 -8.218 -7.986 -12.257 1.00 1.38 H new ATOM 0 HA ASN A 37 -9.996 -9.981 -11.138 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -8.199 -9.693 -13.539 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -8.714 -11.297 -13.057 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -11.724 -8.613 -14.108 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -10.336 -8.063 -13.163 1.00 4.13 H new ATOM 554 N PHE A 38 -8.328 -10.913 -9.498 1.00 1.23 N ATOM 555 CA PHE A 38 -7.379 -11.555 -8.597 1.00 1.41 C ATOM 556 C PHE A 38 -7.529 -13.076 -8.571 1.00 1.51 C ATOM 557 O PHE A 38 -6.571 -13.782 -8.259 1.00 2.27 O ATOM 558 CB PHE A 38 -7.496 -10.981 -7.176 1.00 1.89 C ATOM 559 CG PHE A 38 -8.892 -10.944 -6.611 1.00 1.43 C ATOM 560 CD1 PHE A 38 -9.422 -12.049 -5.966 1.00 1.62 C ATOM 561 CD2 PHE A 38 -9.679 -9.810 -6.742 1.00 1.78 C ATOM 562 CE1 PHE A 38 -10.707 -12.024 -5.459 1.00 2.03 C ATOM 563 CE2 PHE A 38 -10.965 -9.780 -6.239 1.00 1.88 C ATOM 564 CZ PHE A 38 -11.457 -10.861 -5.544 1.00 1.97 C ATOM 0 H PHE A 38 -9.252 -10.749 -9.098 1.00 1.23 H new ATOM 0 HA PHE A 38 -6.385 -11.337 -8.987 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -6.867 -11.572 -6.510 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -7.095 -9.968 -7.177 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -8.823 -12.941 -5.858 1.00 1.62 H new ATOM 0 HD2 PHE A 38 -9.282 -8.940 -7.243 1.00 1.78 H new ATOM 0 HE1 PHE A 38 -11.125 -12.907 -4.998 1.00 2.03 H new ATOM 0 HE2 PHE A 38 -11.584 -8.908 -6.391 1.00 1.88 H new ATOM 0 HZ PHE A 38 -12.424 -10.804 -5.066 1.00 1.97 H new ATOM 574 N PHE A 39 -8.710 -13.586 -8.903 1.00 1.24 N ATOM 575 CA PHE A 39 -8.936 -15.032 -8.863 1.00 1.51 C ATOM 576 C PHE A 39 -9.597 -15.534 -10.144 1.00 1.25 C ATOM 577 O PHE A 39 -9.706 -16.739 -10.369 1.00 1.22 O ATOM 578 CB PHE A 39 -9.782 -15.408 -7.634 1.00 2.01 C ATOM 579 CG PHE A 39 -11.274 -15.331 -7.847 1.00 1.77 C ATOM 580 CD1 PHE A 39 -11.908 -14.105 -7.973 1.00 1.94 C ATOM 581 CD2 PHE A 39 -12.039 -16.488 -7.919 1.00 1.63 C ATOM 582 CE1 PHE A 39 -13.275 -14.033 -8.164 1.00 1.93 C ATOM 583 CE2 PHE A 39 -13.408 -16.421 -8.110 1.00 1.63 C ATOM 584 CZ PHE A 39 -14.025 -15.192 -8.234 1.00 1.75 C ATOM 0 H PHE A 39 -9.515 -13.034 -9.198 1.00 1.24 H new ATOM 0 HA PHE A 39 -7.964 -15.518 -8.783 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -9.524 -16.422 -7.329 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -9.512 -14.749 -6.809 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -11.327 -13.196 -7.921 1.00 1.94 H new ATOM 0 HD2 PHE A 39 -11.560 -17.451 -7.825 1.00 1.63 H new ATOM 0 HE1 PHE A 39 -13.757 -13.071 -8.259 1.00 1.93 H new ATOM 0 HE2 PHE A 39 -13.992 -17.328 -8.162 1.00 1.63 H new ATOM 0 HZ PHE A 39 -15.093 -15.136 -8.386 1.00 1.75 H new ATOM 594 N GLN A 40 -10.029 -14.607 -10.984 1.00 1.25 N ATOM 595 CA GLN A 40 -10.733 -14.956 -12.207 1.00 1.25 C ATOM 596 C GLN A 40 -9.786 -15.568 -13.238 1.00 1.28 C ATOM 597 O GLN A 40 -9.985 -16.699 -13.686 1.00 1.93 O ATOM 598 CB GLN A 40 -11.417 -13.717 -12.783 1.00 1.46 C ATOM 599 CG GLN A 40 -12.441 -13.090 -11.846 1.00 1.85 C ATOM 600 CD GLN A 40 -11.881 -11.913 -11.068 1.00 1.75 C ATOM 601 OE1 GLN A 40 -10.919 -12.053 -10.307 1.00 2.39 O ATOM 602 NE2 GLN A 40 -12.474 -10.743 -11.248 1.00 1.80 N ATOM 0 H GLN A 40 -9.904 -13.605 -10.840 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.488 -15.704 -11.965 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -10.658 -12.974 -13.026 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -11.910 -13.986 -13.717 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -13.303 -12.760 -12.425 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -12.798 -13.846 -11.146 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -13.267 -10.666 -11.885 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -12.138 -9.919 -10.749 1.00 1.80 H new ATOM 611 N ILE A 41 -8.749 -14.829 -13.601 1.00 1.12 N ATOM 612 CA ILE A 41 -7.817 -15.286 -14.621 1.00 1.27 C ATOM 613 C ILE A 41 -6.496 -15.735 -14.003 1.00 1.35 C ATOM 614 O ILE A 41 -5.484 -15.035 -14.089 1.00 1.77 O ATOM 615 CB ILE A 41 -7.534 -14.191 -15.676 1.00 1.70 C ATOM 616 CG1 ILE A 41 -8.754 -13.282 -15.865 1.00 2.36 C ATOM 617 CG2 ILE A 41 -7.136 -14.825 -17.000 1.00 2.27 C ATOM 618 CD1 ILE A 41 -8.439 -11.979 -16.570 1.00 3.23 C ATOM 0 H ILE A 41 -8.532 -13.914 -13.207 1.00 1.12 H new ATOM 0 HA ILE A 41 -8.292 -16.134 -15.115 1.00 1.27 H new ATOM 0 HB ILE A 41 -6.707 -13.578 -15.317 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -9.512 -13.819 -16.435 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -9.186 -13.062 -14.889 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -6.940 -14.043 -17.733 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -6.237 -15.425 -16.860 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -7.946 -15.462 -17.356 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -9.350 -11.389 -16.668 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -7.705 -11.420 -15.990 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -8.035 -12.190 -17.560 1.00 3.23 H new ATOM 630 N GLY A 42 -6.511 -16.898 -13.369 1.00 1.60 N ATOM 631 CA GLY A 42 -5.287 -17.454 -12.830 1.00 1.96 C ATOM 632 C GLY A 42 -5.512 -18.328 -11.613 1.00 1.64 C ATOM 633 O GLY A 42 -5.590 -19.554 -11.726 1.00 2.06 O ATOM 0 H GLY A 42 -7.345 -17.465 -13.218 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -4.791 -18.040 -13.603 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -4.612 -16.640 -12.565 1.00 1.96 H new ATOM 637 N GLY A 43 -5.630 -17.696 -10.455 1.00 1.60 N ATOM 638 CA GLY A 43 -5.735 -18.429 -9.208 1.00 1.92 C ATOM 639 C GLY A 43 -7.143 -18.904 -8.926 1.00 1.62 C ATOM 640 O GLY A 43 -7.874 -18.280 -8.157 1.00 2.17 O ATOM 0 H GLY A 43 -5.655 -16.681 -10.355 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -5.066 -19.289 -9.239 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -5.400 -17.793 -8.388 1.00 1.92 H new ATOM 644 N HIS A 44 -7.523 -20.013 -9.551 1.00 1.25 N ATOM 645 CA HIS A 44 -8.843 -20.592 -9.347 1.00 1.22 C ATOM 646 C HIS A 44 -8.998 -21.077 -7.903 1.00 1.13 C ATOM 647 O HIS A 44 -8.053 -21.593 -7.301 1.00 1.36 O ATOM 648 CB HIS A 44 -9.101 -21.725 -10.364 1.00 1.54 C ATOM 649 CG HIS A 44 -8.789 -23.116 -9.881 1.00 1.39 C ATOM 650 ND1 HIS A 44 -7.506 -23.596 -9.738 1.00 1.94 N ATOM 651 CD2 HIS A 44 -9.605 -24.135 -9.523 1.00 1.92 C ATOM 652 CE1 HIS A 44 -7.548 -24.844 -9.319 1.00 2.26 C ATOM 653 NE2 HIS A 44 -8.809 -25.198 -9.178 1.00 2.26 N ATOM 0 H HIS A 44 -6.933 -20.529 -10.204 1.00 1.25 H new ATOM 0 HA HIS A 44 -9.596 -19.822 -9.517 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -10.149 -21.690 -10.662 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -8.509 -21.529 -11.258 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -10.685 -24.115 -9.511 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -6.692 -25.472 -9.124 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -9.139 -26.111 -8.864 1.00 2.26 H new ATOM 662 N SER A 45 -10.185 -20.884 -7.353 1.00 1.01 N ATOM 663 CA SER A 45 -10.476 -21.273 -5.984 1.00 1.10 C ATOM 664 C SER A 45 -10.627 -22.791 -5.860 1.00 1.13 C ATOM 665 O SER A 45 -10.836 -23.489 -6.853 1.00 1.31 O ATOM 666 CB SER A 45 -11.759 -20.573 -5.534 1.00 1.19 C ATOM 667 OG SER A 45 -12.401 -19.944 -6.637 1.00 1.19 O ATOM 0 H SER A 45 -10.971 -20.455 -7.841 1.00 1.01 H new ATOM 0 HA SER A 45 -9.645 -20.973 -5.345 1.00 1.10 H new ATOM 0 HB2 SER A 45 -12.434 -21.297 -5.078 1.00 1.19 H new ATOM 0 HB3 SER A 45 -11.526 -19.831 -4.771 1.00 1.19 H new ATOM 0 HG SER A 45 -13.221 -19.503 -6.330 1.00 1.19 H new ATOM 673 N LEU A 46 -10.520 -23.298 -4.638 1.00 1.21 N ATOM 674 CA LEU A 46 -10.728 -24.718 -4.380 1.00 1.32 C ATOM 675 C LEU A 46 -12.209 -24.968 -4.135 1.00 1.35 C ATOM 676 O LEU A 46 -12.669 -26.110 -4.085 1.00 1.77 O ATOM 677 CB LEU A 46 -9.899 -25.169 -3.175 1.00 1.50 C ATOM 678 CG LEU A 46 -8.385 -25.015 -3.341 1.00 1.83 C ATOM 679 CD1 LEU A 46 -7.785 -24.306 -2.138 1.00 2.37 C ATOM 680 CD2 LEU A 46 -7.729 -26.373 -3.544 1.00 2.35 C ATOM 0 H LEU A 46 -10.291 -22.748 -3.810 1.00 1.21 H new ATOM 0 HA LEU A 46 -10.404 -25.296 -5.246 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -10.214 -24.598 -2.301 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -10.123 -26.216 -2.970 1.00 1.50 H new ATOM 0 HG LEU A 46 -8.197 -24.407 -4.226 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -6.708 -24.206 -2.274 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -8.232 -23.317 -2.039 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -7.984 -24.886 -1.237 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -6.653 -26.244 -3.660 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -7.927 -27.006 -2.679 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -8.136 -26.844 -4.439 1.00 2.35 H new ATOM 692 N LYS A 47 -12.938 -23.866 -3.977 1.00 1.23 N ATOM 693 CA LYS A 47 -14.385 -23.891 -3.825 1.00 1.28 C ATOM 694 C LYS A 47 -15.046 -24.605 -5.001 1.00 1.27 C ATOM 695 O LYS A 47 -14.539 -24.566 -6.128 1.00 1.27 O ATOM 696 CB LYS A 47 -14.911 -22.458 -3.727 1.00 1.30 C ATOM 697 CG LYS A 47 -16.001 -22.261 -2.687 1.00 1.49 C ATOM 698 CD LYS A 47 -16.887 -21.072 -3.032 1.00 1.72 C ATOM 699 CE LYS A 47 -17.670 -20.586 -1.822 1.00 1.61 C ATOM 700 NZ LYS A 47 -18.890 -21.401 -1.587 1.00 2.27 N ATOM 0 H LYS A 47 -12.537 -22.928 -3.951 1.00 1.23 H new ATOM 0 HA LYS A 47 -14.629 -24.437 -2.914 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -14.079 -21.793 -3.494 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -15.296 -22.158 -4.701 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -16.609 -23.163 -2.619 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -15.548 -22.108 -1.707 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -16.272 -20.259 -3.418 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -17.580 -21.352 -3.826 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -17.033 -20.623 -0.938 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.952 -19.543 -1.967 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -19.395 -21.037 -0.754 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -19.510 -21.345 -2.420 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -18.619 -22.392 -1.423 1.00 2.27 H new ATOM 714 N ALA A 48 -16.196 -25.223 -4.742 1.00 1.33 N ATOM 715 CA ALA A 48 -16.910 -26.000 -5.751 1.00 1.38 C ATOM 716 C ALA A 48 -17.317 -25.145 -6.947 1.00 1.18 C ATOM 717 O ALA A 48 -17.623 -25.669 -8.015 1.00 1.05 O ATOM 718 CB ALA A 48 -18.134 -26.660 -5.139 1.00 1.64 C ATOM 0 H ALA A 48 -16.657 -25.200 -3.832 1.00 1.33 H new ATOM 0 HA ALA A 48 -16.228 -26.769 -6.113 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -18.657 -27.236 -5.903 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -17.824 -27.324 -4.332 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -18.800 -25.894 -4.743 1.00 1.64 H new ATOM 724 N MET A 49 -17.316 -23.829 -6.763 1.00 1.20 N ATOM 725 CA MET A 49 -17.631 -22.901 -7.843 1.00 1.09 C ATOM 726 C MET A 49 -16.603 -23.010 -8.969 1.00 0.94 C ATOM 727 O MET A 49 -16.959 -23.123 -10.144 1.00 0.85 O ATOM 728 CB MET A 49 -17.669 -21.467 -7.318 1.00 1.22 C ATOM 729 CG MET A 49 -18.539 -20.542 -8.154 1.00 1.35 C ATOM 730 SD MET A 49 -20.233 -21.141 -8.306 1.00 1.95 S ATOM 731 CE MET A 49 -20.972 -19.830 -9.272 1.00 2.58 C ATOM 0 H MET A 49 -17.100 -23.380 -5.873 1.00 1.20 H new ATOM 0 HA MET A 49 -18.612 -23.164 -8.238 1.00 1.09 H new ATOM 0 HB2 MET A 49 -18.038 -21.473 -6.292 1.00 1.22 H new ATOM 0 HB3 MET A 49 -16.654 -21.071 -7.289 1.00 1.22 H new ATOM 0 HG2 MET A 49 -18.547 -19.550 -7.703 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.103 -20.438 -9.148 1.00 1.35 H new ATOM 0 HE1 MET A 49 -22.023 -20.057 -9.449 1.00 2.58 H new ATOM 0 HE2 MET A 49 -20.890 -18.888 -8.730 1.00 2.58 H new ATOM 0 HE3 MET A 49 -20.453 -19.745 -10.227 1.00 2.58 H new ATOM 741 N ALA A 50 -15.327 -22.989 -8.603 1.00 0.96 N ATOM 742 CA ALA A 50 -14.256 -23.076 -9.585 1.00 0.90 C ATOM 743 C ALA A 50 -14.080 -24.515 -10.054 1.00 0.84 C ATOM 744 O ALA A 50 -13.654 -24.768 -11.181 1.00 0.80 O ATOM 745 CB ALA A 50 -12.957 -22.533 -9.008 1.00 1.06 C ATOM 0 H ALA A 50 -15.011 -22.913 -7.636 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.526 -22.466 -10.447 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.168 -22.606 -9.756 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.093 -21.489 -8.725 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -12.678 -23.114 -8.129 1.00 1.06 H new ATOM 751 N VAL A 51 -14.418 -25.456 -9.179 1.00 0.90 N ATOM 752 CA VAL A 51 -14.380 -26.872 -9.526 1.00 0.92 C ATOM 753 C VAL A 51 -15.411 -27.179 -10.611 1.00 0.84 C ATOM 754 O VAL A 51 -15.138 -27.935 -11.545 1.00 0.85 O ATOM 755 CB VAL A 51 -14.639 -27.766 -8.291 1.00 1.07 C ATOM 756 CG1 VAL A 51 -14.726 -29.235 -8.685 1.00 1.17 C ATOM 757 CG2 VAL A 51 -13.550 -27.560 -7.250 1.00 1.46 C ATOM 0 H VAL A 51 -14.721 -25.264 -8.224 1.00 0.90 H new ATOM 0 HA VAL A 51 -13.381 -27.093 -9.902 1.00 0.92 H new ATOM 0 HB VAL A 51 -15.597 -27.475 -7.859 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -14.909 -29.840 -7.797 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -15.543 -29.374 -9.393 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -13.789 -29.544 -9.148 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -13.747 -28.196 -6.387 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -12.582 -27.820 -7.679 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -13.539 -26.516 -6.936 1.00 1.46 H new ATOM 767 N ALA A 52 -16.585 -26.568 -10.495 1.00 0.84 N ATOM 768 CA ALA A 52 -17.635 -26.723 -11.493 1.00 0.85 C ATOM 769 C ALA A 52 -17.180 -26.171 -12.837 1.00 0.77 C ATOM 770 O ALA A 52 -17.466 -26.747 -13.886 1.00 0.83 O ATOM 771 CB ALA A 52 -18.910 -26.030 -11.035 1.00 0.97 C ATOM 0 H ALA A 52 -16.833 -25.958 -9.716 1.00 0.84 H new ATOM 0 HA ALA A 52 -17.844 -27.786 -11.612 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -19.684 -26.155 -11.792 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.246 -26.470 -10.096 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.714 -24.968 -10.889 1.00 0.97 H new ATOM 777 N ALA A 53 -16.461 -25.058 -12.795 1.00 0.72 N ATOM 778 CA ALA A 53 -15.906 -24.462 -14.003 1.00 0.74 C ATOM 779 C ALA A 53 -14.877 -25.395 -14.632 1.00 0.73 C ATOM 780 O ALA A 53 -14.853 -25.583 -15.846 1.00 0.93 O ATOM 781 CB ALA A 53 -15.283 -23.113 -13.683 1.00 0.82 C ATOM 0 H ALA A 53 -16.248 -24.549 -11.937 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.712 -24.309 -14.721 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.871 -22.677 -14.593 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.044 -22.448 -13.274 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.486 -23.245 -12.951 1.00 0.82 H new ATOM 787 N GLN A 54 -14.047 -25.989 -13.783 1.00 0.71 N ATOM 788 CA GLN A 54 -13.033 -26.940 -14.218 1.00 0.83 C ATOM 789 C GLN A 54 -13.677 -28.137 -14.919 1.00 0.88 C ATOM 790 O GLN A 54 -13.244 -28.544 -15.997 1.00 1.07 O ATOM 791 CB GLN A 54 -12.214 -27.409 -13.009 1.00 0.99 C ATOM 792 CG GLN A 54 -11.201 -28.497 -13.329 1.00 1.27 C ATOM 793 CD GLN A 54 -9.801 -28.140 -12.869 1.00 1.30 C ATOM 794 OE1 GLN A 54 -9.343 -27.015 -13.051 1.00 1.76 O ATOM 795 NE2 GLN A 54 -9.103 -29.103 -12.287 1.00 1.86 N ATOM 0 H GLN A 54 -14.058 -25.825 -12.776 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.372 -26.446 -14.930 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -11.690 -26.553 -12.585 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.896 -27.777 -12.242 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -11.510 -29.428 -12.853 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -11.192 -28.676 -14.404 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -9.519 -30.025 -12.154 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -8.150 -28.923 -11.972 1.00 1.86 H new ATOM 804 N VAL A 55 -14.721 -28.684 -14.307 1.00 0.88 N ATOM 805 CA VAL A 55 -15.423 -29.836 -14.861 1.00 0.98 C ATOM 806 C VAL A 55 -16.121 -29.471 -16.172 1.00 0.96 C ATOM 807 O VAL A 55 -16.099 -30.240 -17.132 1.00 1.10 O ATOM 808 CB VAL A 55 -16.461 -30.397 -13.859 1.00 1.13 C ATOM 809 CG1 VAL A 55 -17.284 -31.511 -14.488 1.00 1.82 C ATOM 810 CG2 VAL A 55 -15.773 -30.894 -12.598 1.00 1.36 C ATOM 0 H VAL A 55 -15.101 -28.346 -13.423 1.00 0.88 H new ATOM 0 HA VAL A 55 -14.677 -30.606 -15.057 1.00 0.98 H new ATOM 0 HB VAL A 55 -17.138 -29.586 -13.590 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -18.005 -31.886 -13.761 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -17.814 -31.125 -15.359 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -16.624 -32.322 -14.796 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -16.519 -31.284 -11.906 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -15.068 -31.685 -12.856 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -15.237 -30.070 -12.127 1.00 1.36 H new ATOM 820 N HIS A 56 -16.693 -28.273 -16.216 1.00 0.95 N ATOM 821 CA HIS A 56 -17.464 -27.814 -17.373 1.00 1.02 C ATOM 822 C HIS A 56 -16.561 -27.483 -18.567 1.00 0.97 C ATOM 823 O HIS A 56 -17.027 -26.978 -19.586 1.00 1.30 O ATOM 824 CB HIS A 56 -18.301 -26.588 -16.987 1.00 1.22 C ATOM 825 CG HIS A 56 -19.347 -26.205 -17.997 1.00 1.39 C ATOM 826 ND1 HIS A 56 -20.259 -27.095 -18.527 1.00 1.92 N ATOM 827 CD2 HIS A 56 -19.619 -25.010 -18.573 1.00 1.81 C ATOM 828 CE1 HIS A 56 -21.042 -26.465 -19.380 1.00 1.97 C ATOM 829 NE2 HIS A 56 -20.678 -25.198 -19.426 1.00 1.97 N ATOM 0 H HIS A 56 -16.638 -27.594 -15.457 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.124 -28.626 -17.678 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -18.790 -26.783 -16.032 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -17.633 -25.740 -16.835 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -19.099 -24.081 -18.394 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -21.846 -26.911 -19.946 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -21.112 -24.476 -20.001 1.00 1.97 H new ATOM 838 N ARG A 57 -15.272 -27.751 -18.437 1.00 0.98 N ATOM 839 CA ARG A 57 -14.348 -27.569 -19.545 1.00 1.19 C ATOM 840 C ARG A 57 -13.381 -28.743 -19.627 1.00 1.33 C ATOM 841 O ARG A 57 -12.275 -28.617 -20.151 1.00 2.17 O ATOM 842 CB ARG A 57 -13.584 -26.253 -19.400 1.00 1.33 C ATOM 843 CG ARG A 57 -13.373 -25.520 -20.717 1.00 1.79 C ATOM 844 CD ARG A 57 -14.630 -25.524 -21.570 1.00 1.88 C ATOM 845 NE ARG A 57 -15.162 -24.177 -21.770 1.00 2.28 N ATOM 846 CZ ARG A 57 -16.445 -23.913 -22.027 1.00 2.79 C ATOM 847 NH1 ARG A 57 -17.335 -24.894 -22.100 1.00 3.10 N ATOM 848 NH2 ARG A 57 -16.839 -22.658 -22.209 1.00 3.57 N ATOM 0 H ARG A 57 -14.842 -28.094 -17.578 1.00 0.98 H new ATOM 0 HA ARG A 57 -14.923 -27.529 -20.470 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -14.127 -25.602 -18.715 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -12.613 -26.455 -18.947 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -13.072 -24.492 -20.517 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -12.558 -25.989 -21.268 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -14.409 -25.974 -22.538 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -15.388 -26.146 -21.095 1.00 1.88 H new ATOM 0 HE ARG A 57 -14.514 -23.392 -21.710 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -17.041 -25.861 -21.959 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -18.313 -24.682 -22.297 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -16.162 -21.898 -22.152 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -17.819 -22.455 -22.405 1.00 3.57 H new ATOM 862 N GLU A 58 -13.819 -29.883 -19.096 1.00 1.21 N ATOM 863 CA GLU A 58 -13.040 -31.119 -19.123 1.00 1.40 C ATOM 864 C GLU A 58 -11.678 -30.952 -18.446 1.00 1.22 C ATOM 865 O GLU A 58 -10.641 -31.300 -19.015 1.00 1.68 O ATOM 866 CB GLU A 58 -12.871 -31.619 -20.561 1.00 1.88 C ATOM 867 CG GLU A 58 -13.506 -32.980 -20.799 1.00 2.68 C ATOM 868 CD GLU A 58 -14.938 -32.885 -21.285 1.00 3.16 C ATOM 869 OE1 GLU A 58 -15.708 -32.087 -20.713 1.00 3.64 O ATOM 870 OE2 GLU A 58 -15.302 -33.596 -22.244 1.00 3.53 O ATOM 0 H GLU A 58 -14.724 -29.976 -18.635 1.00 1.21 H new ATOM 0 HA GLU A 58 -13.595 -31.866 -18.555 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -13.312 -30.894 -21.245 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -11.808 -31.674 -20.797 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -12.914 -33.528 -21.532 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -13.479 -33.555 -19.873 1.00 2.68 H new ATOM 877 N TYR A 59 -11.699 -30.397 -17.237 1.00 1.26 N ATOM 878 CA TYR A 59 -10.519 -30.314 -16.373 1.00 1.40 C ATOM 879 C TYR A 59 -9.449 -29.387 -16.947 1.00 1.33 C ATOM 880 O TYR A 59 -8.541 -29.822 -17.656 1.00 1.82 O ATOM 881 CB TYR A 59 -9.942 -31.710 -16.113 1.00 1.93 C ATOM 882 CG TYR A 59 -10.873 -32.613 -15.327 1.00 2.42 C ATOM 883 CD1 TYR A 59 -11.789 -32.085 -14.426 1.00 2.85 C ATOM 884 CD2 TYR A 59 -10.835 -33.993 -15.491 1.00 2.98 C ATOM 885 CE1 TYR A 59 -12.642 -32.907 -13.714 1.00 3.50 C ATOM 886 CE2 TYR A 59 -11.684 -34.819 -14.782 1.00 3.65 C ATOM 887 CZ TYR A 59 -12.573 -34.265 -13.877 1.00 3.80 C ATOM 888 OH TYR A 59 -13.431 -35.094 -13.192 1.00 4.58 O ATOM 0 H TYR A 59 -12.538 -29.989 -16.825 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.842 -29.884 -15.425 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -9.711 -32.182 -17.068 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.002 -31.611 -15.571 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -11.835 -31.016 -14.280 1.00 2.85 H new ATOM 0 HD2 TYR A 59 -10.130 -34.426 -16.185 1.00 2.98 H new ATOM 0 HE1 TYR A 59 -13.361 -32.480 -13.031 1.00 3.50 H new ATOM 0 HE2 TYR A 59 -11.655 -35.888 -14.932 1.00 3.65 H new ATOM 0 HH TYR A 59 -13.243 -36.026 -13.428 1.00 4.58 H new ATOM 898 N GLN A 60 -9.562 -28.103 -16.615 1.00 1.24 N ATOM 899 CA GLN A 60 -8.611 -27.092 -17.075 1.00 1.28 C ATOM 900 C GLN A 60 -7.317 -27.150 -16.266 1.00 1.38 C ATOM 901 O GLN A 60 -6.294 -26.598 -16.674 1.00 1.94 O ATOM 902 CB GLN A 60 -9.226 -25.694 -16.971 1.00 1.68 C ATOM 903 CG GLN A 60 -10.697 -25.647 -17.355 1.00 1.83 C ATOM 904 CD GLN A 60 -11.065 -24.387 -18.112 1.00 2.07 C ATOM 905 OE1 GLN A 60 -11.868 -23.586 -17.645 1.00 2.80 O ATOM 906 NE2 GLN A 60 -10.495 -24.213 -19.291 1.00 2.27 N ATOM 0 H GLN A 60 -10.308 -27.736 -16.025 1.00 1.24 H new ATOM 0 HA GLN A 60 -8.377 -27.302 -18.119 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -9.114 -25.332 -15.949 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -8.669 -25.012 -17.614 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -10.936 -26.516 -17.967 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -11.306 -25.715 -16.453 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -9.832 -24.903 -19.644 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -10.718 -23.388 -19.849 1.00 2.27 H new ATOM 915 N VAL A 61 -7.390 -27.795 -15.102 1.00 1.49 N ATOM 916 CA VAL A 61 -6.229 -28.048 -14.247 1.00 1.90 C ATOM 917 C VAL A 61 -5.799 -26.800 -13.467 1.00 2.03 C ATOM 918 O VAL A 61 -5.754 -26.820 -12.234 1.00 2.77 O ATOM 919 CB VAL A 61 -5.023 -28.606 -15.045 1.00 2.42 C ATOM 920 CG1 VAL A 61 -3.764 -28.636 -14.189 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.334 -29.998 -15.576 1.00 2.70 C ATOM 0 H VAL A 61 -8.264 -28.160 -14.722 1.00 1.49 H new ATOM 0 HA VAL A 61 -6.550 -28.806 -13.533 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.843 -27.940 -15.889 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -2.935 -29.032 -14.775 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -3.525 -27.625 -13.858 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -3.930 -29.272 -13.320 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -4.477 -30.375 -16.134 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -5.546 -30.667 -14.742 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -6.202 -29.951 -16.233 1.00 2.70 H new ATOM 931 N GLU A 62 -5.490 -25.724 -14.177 1.00 1.77 N ATOM 932 CA GLU A 62 -4.944 -24.532 -13.540 1.00 2.15 C ATOM 933 C GLU A 62 -5.965 -23.402 -13.483 1.00 1.95 C ATOM 934 O GLU A 62 -6.471 -23.066 -12.411 1.00 2.59 O ATOM 935 CB GLU A 62 -3.691 -24.068 -14.281 1.00 2.85 C ATOM 936 CG GLU A 62 -2.417 -24.728 -13.781 1.00 3.27 C ATOM 937 CD GLU A 62 -1.359 -23.724 -13.380 1.00 4.00 C ATOM 938 OE1 GLU A 62 -1.511 -23.086 -12.315 1.00 4.56 O ATOM 939 OE2 GLU A 62 -0.369 -23.568 -14.123 1.00 4.41 O ATOM 0 H GLU A 62 -5.607 -25.651 -15.188 1.00 1.77 H new ATOM 0 HA GLU A 62 -4.684 -24.796 -12.515 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -3.808 -24.278 -15.344 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -3.596 -22.987 -14.178 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -2.652 -25.363 -12.927 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -2.019 -25.378 -14.561 1.00 3.27 H new ATOM 946 N LEU A 63 -6.275 -22.826 -14.633 1.00 1.62 N ATOM 947 CA LEU A 63 -7.132 -21.652 -14.688 1.00 1.78 C ATOM 948 C LEU A 63 -8.411 -21.948 -15.464 1.00 1.53 C ATOM 949 O LEU A 63 -8.379 -22.648 -16.476 1.00 1.50 O ATOM 950 CB LEU A 63 -6.388 -20.473 -15.332 1.00 2.34 C ATOM 951 CG LEU A 63 -4.994 -20.794 -15.878 1.00 2.46 C ATOM 952 CD1 LEU A 63 -5.029 -20.928 -17.394 1.00 2.93 C ATOM 953 CD2 LEU A 63 -4.000 -19.724 -15.445 1.00 3.01 C ATOM 0 H LEU A 63 -5.946 -23.152 -15.542 1.00 1.62 H new ATOM 0 HA LEU A 63 -7.402 -21.384 -13.666 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -6.998 -20.083 -16.147 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -6.296 -19.677 -14.593 1.00 2.34 H new ATOM 0 HG LEU A 63 -4.668 -21.749 -15.466 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -4.029 -21.156 -17.762 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -5.710 -21.732 -17.673 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -5.373 -19.992 -17.834 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -3.013 -19.964 -15.840 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -4.319 -18.755 -15.829 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -3.957 -19.687 -14.356 1.00 3.01 H new ATOM 965 N PRO A 64 -9.551 -21.414 -14.996 1.00 1.52 N ATOM 966 CA PRO A 64 -10.844 -21.580 -15.668 1.00 1.44 C ATOM 967 C PRO A 64 -10.956 -20.691 -16.909 1.00 1.43 C ATOM 968 O PRO A 64 -11.814 -19.803 -16.988 1.00 1.89 O ATOM 969 CB PRO A 64 -11.847 -21.153 -14.594 1.00 1.66 C ATOM 970 CG PRO A 64 -11.104 -20.170 -13.755 1.00 1.91 C ATOM 971 CD PRO A 64 -9.664 -20.600 -13.773 1.00 1.79 C ATOM 0 HA PRO A 64 -11.004 -22.595 -16.032 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -12.736 -20.704 -15.038 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -12.182 -22.005 -14.003 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -11.213 -19.160 -14.151 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -11.493 -20.156 -12.737 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -8.992 -19.743 -13.801 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -9.408 -21.177 -12.884 1.00 1.79 H new ATOM 979 N LEU A 65 -10.079 -20.941 -17.872 1.00 1.22 N ATOM 980 CA LEU A 65 -9.970 -20.114 -19.062 1.00 1.24 C ATOM 981 C LEU A 65 -11.089 -20.405 -20.054 1.00 1.19 C ATOM 982 O LEU A 65 -11.323 -21.556 -20.425 1.00 1.82 O ATOM 983 CB LEU A 65 -8.607 -20.333 -19.726 1.00 1.39 C ATOM 984 CG LEU A 65 -8.316 -19.433 -20.928 1.00 1.86 C ATOM 985 CD1 LEU A 65 -7.998 -18.017 -20.472 1.00 2.46 C ATOM 986 CD2 LEU A 65 -7.170 -20.004 -21.749 1.00 2.34 C ATOM 0 H LEU A 65 -9.424 -21.723 -17.848 1.00 1.22 H new ATOM 0 HA LEU A 65 -10.063 -19.072 -18.755 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -7.828 -20.178 -18.979 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -8.540 -21.373 -20.046 1.00 1.39 H new ATOM 0 HG LEU A 65 -9.206 -19.395 -21.557 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -7.794 -17.392 -21.341 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -8.849 -17.611 -19.925 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -7.123 -18.032 -19.822 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -6.974 -19.354 -22.601 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -6.276 -20.070 -21.129 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -7.438 -20.998 -22.106 1.00 2.34 H new ATOM 998 N LYS A 66 -11.791 -19.343 -20.453 1.00 0.89 N ATOM 999 CA LYS A 66 -12.818 -19.409 -21.496 1.00 0.89 C ATOM 1000 C LYS A 66 -14.007 -20.283 -21.092 1.00 0.88 C ATOM 1001 O LYS A 66 -14.817 -20.673 -21.938 1.00 1.21 O ATOM 1002 CB LYS A 66 -12.217 -19.913 -22.812 1.00 1.03 C ATOM 1003 CG LYS A 66 -11.386 -18.866 -23.538 1.00 1.47 C ATOM 1004 CD LYS A 66 -12.101 -18.350 -24.775 1.00 1.62 C ATOM 1005 CE LYS A 66 -11.145 -18.198 -25.945 1.00 1.99 C ATOM 1006 NZ LYS A 66 -11.850 -17.819 -27.197 1.00 2.42 N ATOM 0 H LYS A 66 -11.663 -18.410 -20.061 1.00 0.89 H new ATOM 0 HA LYS A 66 -13.193 -18.395 -21.635 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -11.593 -20.783 -22.608 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -13.023 -20.245 -23.467 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -11.176 -18.035 -22.864 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -10.426 -19.296 -23.824 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -12.904 -19.036 -25.046 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -12.564 -17.388 -24.555 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -10.398 -17.441 -25.706 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -10.610 -19.135 -26.100 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -11.160 -17.726 -27.969 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -12.545 -18.554 -27.440 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -12.339 -16.912 -27.059 1.00 2.42 H new ATOM 1020 N VAL A 67 -14.115 -20.599 -19.811 1.00 0.96 N ATOM 1021 CA VAL A 67 -15.271 -21.326 -19.321 1.00 1.08 C ATOM 1022 C VAL A 67 -16.279 -20.359 -18.704 1.00 1.15 C ATOM 1023 O VAL A 67 -17.485 -20.549 -18.842 1.00 1.70 O ATOM 1024 CB VAL A 67 -14.878 -22.431 -18.310 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -14.489 -21.846 -16.962 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -16.011 -23.434 -18.155 1.00 2.11 C ATOM 0 H VAL A 67 -13.423 -20.365 -19.099 1.00 0.96 H new ATOM 0 HA VAL A 67 -15.734 -21.824 -20.173 1.00 1.08 H new ATOM 0 HB VAL A 67 -14.004 -22.948 -18.705 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -14.220 -22.652 -16.280 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -13.637 -21.177 -17.088 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -15.331 -21.288 -16.551 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -15.720 -24.205 -17.441 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -16.903 -22.922 -17.793 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -16.224 -23.895 -19.120 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.764 -19.306 -18.058 1.00 1.00 N ATOM 1037 CA LEU A 68 -16.597 -18.294 -17.413 1.00 1.15 C ATOM 1038 C LEU A 68 -15.732 -17.284 -16.666 1.00 1.14 C ATOM 1039 O LEU A 68 -15.761 -16.094 -16.959 1.00 1.53 O ATOM 1040 CB LEU A 68 -17.586 -18.940 -16.429 1.00 1.35 C ATOM 1041 CG LEU A 68 -19.044 -18.476 -16.546 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -19.366 -18.010 -17.962 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -19.989 -19.594 -16.136 1.00 2.02 C ATOM 0 H LEU A 68 -14.762 -19.135 -17.970 1.00 1.00 H new ATOM 0 HA LEU A 68 -17.158 -17.782 -18.195 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -17.556 -20.020 -16.570 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -17.242 -18.741 -15.414 1.00 1.35 H new ATOM 0 HG LEU A 68 -19.180 -17.630 -15.873 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -20.406 -17.688 -18.011 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -18.715 -17.177 -18.228 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -19.207 -18.832 -18.660 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -21.020 -19.250 -16.224 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -19.837 -20.456 -16.786 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -19.789 -19.879 -15.103 1.00 2.02 H new ATOM 1055 N PHE A 69 -14.944 -17.784 -15.717 1.00 1.04 N ATOM 1056 CA PHE A 69 -14.193 -16.930 -14.796 1.00 1.16 C ATOM 1057 C PHE A 69 -13.101 -16.122 -15.490 1.00 1.15 C ATOM 1058 O PHE A 69 -13.011 -14.908 -15.308 1.00 1.87 O ATOM 1059 CB PHE A 69 -13.561 -17.777 -13.690 1.00 1.30 C ATOM 1060 CG PHE A 69 -14.486 -18.076 -12.544 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -14.933 -17.060 -11.716 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -14.905 -19.374 -12.295 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -15.782 -17.334 -10.660 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -15.751 -19.654 -11.239 1.00 1.81 C ATOM 1065 CZ PHE A 69 -16.191 -18.632 -10.421 1.00 1.60 C ATOM 0 H PHE A 69 -14.808 -18.783 -15.564 1.00 1.04 H new ATOM 0 HA PHE A 69 -14.909 -16.224 -14.376 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -13.216 -18.717 -14.119 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -12.681 -17.259 -13.308 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -14.615 -16.044 -11.897 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -14.566 -20.176 -12.934 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -16.126 -16.533 -10.022 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -16.067 -20.670 -11.054 1.00 1.81 H new ATOM 0 HZ PHE A 69 -16.854 -18.847 -9.596 1.00 1.60 H new ATOM 1075 N ALA A 70 -12.264 -16.791 -16.271 1.00 0.92 N ATOM 1076 CA ALA A 70 -11.105 -16.139 -16.873 1.00 0.94 C ATOM 1077 C ALA A 70 -11.485 -15.292 -18.085 1.00 0.91 C ATOM 1078 O ALA A 70 -11.179 -15.648 -19.228 1.00 1.09 O ATOM 1079 CB ALA A 70 -10.055 -17.170 -17.252 1.00 1.03 C ATOM 0 H ALA A 70 -12.363 -17.779 -16.503 1.00 0.92 H new ATOM 0 HA ALA A 70 -10.688 -15.464 -16.126 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -9.197 -16.668 -17.700 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -9.735 -17.709 -16.360 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -10.478 -17.874 -17.969 1.00 1.03 H new ATOM 1085 N GLN A 71 -12.163 -14.183 -17.819 1.00 1.05 N ATOM 1086 CA GLN A 71 -12.500 -13.202 -18.841 1.00 1.14 C ATOM 1087 C GLN A 71 -12.976 -11.916 -18.175 1.00 1.04 C ATOM 1088 O GLN A 71 -13.810 -11.956 -17.271 1.00 1.19 O ATOM 1089 CB GLN A 71 -13.588 -13.735 -19.781 1.00 1.43 C ATOM 1090 CG GLN A 71 -13.155 -13.786 -21.238 1.00 1.89 C ATOM 1091 CD GLN A 71 -13.829 -12.724 -22.089 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -15.016 -12.826 -22.401 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -13.076 -11.707 -22.484 1.00 3.23 N ATOM 0 H GLN A 71 -12.495 -13.938 -16.886 1.00 1.05 H new ATOM 0 HA GLN A 71 -11.608 -13.001 -19.434 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -13.877 -14.736 -19.460 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -14.473 -13.105 -19.695 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -12.074 -13.659 -21.296 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -13.383 -14.771 -21.646 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -12.096 -11.659 -22.204 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -13.476 -10.973 -23.068 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.419 -10.761 -18.580 1.00 1.11 N ATOM 1103 CA PRO A 72 -12.868 -9.456 -18.089 1.00 1.26 C ATOM 1104 C PRO A 72 -14.329 -9.202 -18.448 1.00 1.21 C ATOM 1105 O PRO A 72 -14.648 -8.910 -19.602 1.00 1.62 O ATOM 1106 CB PRO A 72 -11.947 -8.457 -18.800 1.00 1.60 C ATOM 1107 CG PRO A 72 -10.771 -9.262 -19.241 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.307 -10.634 -19.534 1.00 1.38 C ATOM 0 HA PRO A 72 -12.815 -9.379 -17.003 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.449 -7.993 -19.649 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -11.645 -7.652 -18.130 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.307 -8.826 -20.125 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.007 -9.297 -18.464 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.647 -10.723 -20.566 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.552 -11.405 -19.380 1.00 1.38 H new ATOM 1116 N THR A 73 -15.192 -9.317 -17.439 1.00 1.29 N ATOM 1117 CA THR A 73 -16.641 -9.293 -17.616 1.00 1.40 C ATOM 1118 C THR A 73 -17.123 -10.682 -18.042 1.00 1.25 C ATOM 1119 O THR A 73 -16.797 -11.177 -19.124 1.00 1.55 O ATOM 1120 CB THR A 73 -17.108 -8.189 -18.606 1.00 1.86 C ATOM 1121 OG1 THR A 73 -17.413 -6.988 -17.877 1.00 2.46 O ATOM 1122 CG2 THR A 73 -18.333 -8.611 -19.410 1.00 2.01 C ATOM 0 H THR A 73 -14.901 -9.430 -16.468 1.00 1.29 H new ATOM 0 HA THR A 73 -17.096 -9.035 -16.659 1.00 1.40 H new ATOM 0 HB THR A 73 -16.293 -8.016 -19.309 1.00 1.86 H new ATOM 0 HG1 THR A 73 -18.294 -7.075 -17.458 1.00 2.46 H new ATOM 0 HG21 THR A 73 -18.619 -7.806 -20.086 1.00 2.01 H new ATOM 0 HG22 THR A 73 -18.098 -9.505 -19.988 1.00 2.01 H new ATOM 0 HG23 THR A 73 -19.158 -8.825 -18.731 1.00 2.01 H new ATOM 1130 N ILE A 74 -17.884 -11.307 -17.157 1.00 1.12 N ATOM 1131 CA ILE A 74 -18.332 -12.680 -17.339 1.00 1.13 C ATOM 1132 C ILE A 74 -19.570 -12.719 -18.221 1.00 1.08 C ATOM 1133 O ILE A 74 -19.875 -13.739 -18.840 1.00 1.12 O ATOM 1134 CB ILE A 74 -18.665 -13.337 -15.978 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -17.701 -12.856 -14.883 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -18.637 -14.854 -16.093 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -16.283 -13.368 -15.040 1.00 2.08 C ATOM 0 H ILE A 74 -18.209 -10.877 -16.291 1.00 1.12 H new ATOM 0 HA ILE A 74 -17.522 -13.233 -17.815 1.00 1.13 H new ATOM 0 HB ILE A 74 -19.673 -13.034 -15.695 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -17.684 -11.766 -14.881 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -18.084 -13.171 -13.912 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -18.874 -15.297 -15.125 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -19.373 -15.177 -16.829 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -17.644 -15.177 -16.407 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -15.665 -12.984 -14.228 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -16.284 -14.458 -15.011 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -15.878 -13.031 -15.994 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.277 -11.594 -18.270 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.503 -11.480 -19.050 1.00 1.12 C ATOM 1151 C LYS A 75 -21.285 -11.882 -20.503 1.00 1.02 C ATOM 1152 O LYS A 75 -22.150 -12.514 -21.103 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.051 -10.052 -18.979 1.00 1.25 C ATOM 1154 CG LYS A 75 -23.541 -9.977 -18.664 1.00 1.80 C ATOM 1155 CD LYS A 75 -24.023 -11.208 -17.910 1.00 2.44 C ATOM 1156 CE LYS A 75 -25.516 -11.156 -17.654 1.00 3.14 C ATOM 1157 NZ LYS A 75 -26.291 -11.862 -18.707 1.00 3.80 N ATOM 0 H LYS A 75 -20.018 -10.742 -17.773 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.231 -12.166 -18.617 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -21.500 -9.499 -18.218 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -21.865 -9.554 -19.931 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -23.742 -9.085 -18.070 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -24.104 -9.876 -19.592 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -23.782 -12.104 -18.483 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -23.493 -11.285 -16.961 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -25.732 -11.604 -16.684 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -25.838 -10.116 -17.604 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -27.268 -11.505 -18.717 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -25.851 -11.693 -19.634 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -26.297 -12.883 -18.508 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.122 -11.541 -21.050 1.00 0.97 N ATOM 1172 CA ALA A 76 -19.796 -11.863 -22.437 1.00 0.98 C ATOM 1173 C ALA A 76 -19.959 -13.359 -22.704 1.00 0.91 C ATOM 1174 O ALA A 76 -20.681 -13.770 -23.614 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.379 -11.418 -22.757 1.00 1.08 C ATOM 0 H ALA A 76 -19.386 -11.040 -20.552 1.00 0.97 H new ATOM 0 HA ALA A 76 -20.489 -11.328 -23.086 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -18.146 -11.663 -23.793 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.294 -10.341 -22.610 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -17.679 -11.930 -22.097 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.311 -14.169 -21.876 1.00 0.91 N ATOM 1182 CA LEU A 77 -19.373 -15.615 -22.016 1.00 0.97 C ATOM 1183 C LEU A 77 -20.732 -16.142 -21.562 1.00 1.04 C ATOM 1184 O LEU A 77 -21.200 -17.170 -22.049 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.256 -16.278 -21.204 1.00 1.15 C ATOM 1186 CG LEU A 77 -16.830 -15.969 -21.671 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -15.815 -16.630 -20.750 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -16.626 -16.421 -23.111 1.00 1.94 C ATOM 0 H LEU A 77 -18.735 -13.846 -21.099 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.238 -15.862 -23.069 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.354 -15.969 -20.163 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -18.403 -17.358 -21.231 1.00 1.15 H new ATOM 0 HG LEU A 77 -16.680 -14.890 -21.630 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -14.807 -16.401 -21.095 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -15.945 -16.254 -19.735 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -15.965 -17.710 -20.759 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -15.607 -16.192 -23.423 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -16.795 -17.495 -23.183 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.330 -15.899 -23.759 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.367 -15.421 -20.645 1.00 1.13 N ATOM 1201 CA ALA A 78 -22.655 -15.825 -20.093 1.00 1.34 C ATOM 1202 C ALA A 78 -23.731 -15.919 -21.171 1.00 1.34 C ATOM 1203 O ALA A 78 -24.426 -16.927 -21.271 1.00 1.53 O ATOM 1204 CB ALA A 78 -23.087 -14.867 -18.993 1.00 1.57 C ATOM 0 H ALA A 78 -21.007 -14.546 -20.265 1.00 1.13 H new ATOM 0 HA ALA A 78 -22.530 -16.820 -19.667 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -24.050 -15.183 -18.592 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -22.344 -14.870 -18.196 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -23.177 -13.861 -19.402 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.859 -14.881 -21.990 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.899 -14.864 -23.019 1.00 1.42 C ATOM 1212 C GLN A 79 -24.407 -15.497 -24.320 1.00 1.44 C ATOM 1213 O GLN A 79 -25.152 -15.580 -25.296 1.00 1.79 O ATOM 1214 CB GLN A 79 -25.401 -13.439 -23.279 1.00 1.53 C ATOM 1215 CG GLN A 79 -24.306 -12.388 -23.315 1.00 1.65 C ATOM 1216 CD GLN A 79 -24.579 -11.239 -22.363 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -25.172 -11.423 -21.298 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -24.147 -10.047 -22.738 1.00 2.74 N ATOM 0 H GLN A 79 -23.267 -14.051 -21.965 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.732 -15.459 -22.644 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -25.936 -13.422 -24.229 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -26.119 -13.172 -22.504 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.353 -12.851 -23.059 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -24.210 -12.001 -24.330 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -23.660 -9.938 -23.628 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -24.300 -9.237 -22.138 1.00 2.74 H new ATOM 1227 N TYR A 80 -23.158 -15.948 -24.335 1.00 1.23 N ATOM 1228 CA TYR A 80 -22.600 -16.568 -25.529 1.00 1.38 C ATOM 1229 C TYR A 80 -22.588 -18.091 -25.409 1.00 1.39 C ATOM 1230 O TYR A 80 -23.346 -18.778 -26.091 1.00 1.59 O ATOM 1231 CB TYR A 80 -21.189 -16.040 -25.799 1.00 1.43 C ATOM 1232 CG TYR A 80 -21.163 -14.826 -26.702 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -22.307 -14.063 -26.914 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -19.995 -14.444 -27.345 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -22.285 -12.959 -27.741 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -19.967 -13.339 -28.173 1.00 2.18 C ATOM 1237 CZ TYR A 80 -21.112 -12.600 -28.367 1.00 2.42 C ATOM 1238 OH TYR A 80 -21.084 -11.499 -29.193 1.00 2.85 O ATOM 0 H TYR A 80 -22.519 -15.897 -23.542 1.00 1.23 H new ATOM 0 HA TYR A 80 -23.238 -16.304 -26.372 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -20.716 -15.788 -24.850 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -20.593 -16.833 -26.251 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -23.228 -14.340 -26.423 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -19.093 -15.020 -27.196 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -23.183 -12.379 -27.897 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -19.049 -13.056 -28.667 1.00 2.18 H new ATOM 0 HH TYR A 80 -20.180 -11.384 -29.554 1.00 2.85 H new ATOM 1248 N VAL A 81 -21.745 -18.611 -24.527 1.00 1.29 N ATOM 1249 CA VAL A 81 -21.582 -20.055 -24.387 1.00 1.39 C ATOM 1250 C VAL A 81 -22.216 -20.576 -23.101 1.00 1.35 C ATOM 1251 O VAL A 81 -22.388 -21.784 -22.929 1.00 1.49 O ATOM 1252 CB VAL A 81 -20.092 -20.471 -24.407 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -19.706 -21.015 -25.772 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -19.190 -19.307 -24.022 1.00 1.72 C ATOM 0 H VAL A 81 -21.164 -18.057 -23.898 1.00 1.29 H new ATOM 0 HA VAL A 81 -22.091 -20.497 -25.244 1.00 1.39 H new ATOM 0 HB VAL A 81 -19.956 -21.260 -23.668 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -18.654 -21.302 -25.765 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -20.318 -21.887 -26.003 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -19.868 -20.247 -26.529 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -18.149 -19.630 -24.045 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -19.332 -18.488 -24.727 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -19.442 -18.968 -23.017 1.00 1.72 H new ATOM 1264 N ALA A 82 -22.559 -19.674 -22.191 1.00 1.42 N ATOM 1265 CA ALA A 82 -23.159 -20.070 -20.924 1.00 1.52 C ATOM 1266 C ALA A 82 -24.674 -19.910 -20.960 1.00 1.59 C ATOM 1267 O ALA A 82 -25.326 -19.810 -19.920 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.561 -19.274 -19.776 1.00 1.66 C ATOM 0 H ALA A 82 -22.433 -18.668 -22.305 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.938 -21.125 -20.762 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -23.022 -19.585 -18.839 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -21.487 -19.454 -19.729 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -22.744 -18.211 -19.936 1.00 1.66 H new ATOM 1274 N THR A 83 -25.234 -19.898 -22.164 1.00 1.64 N ATOM 1275 CA THR A 83 -26.678 -19.801 -22.345 1.00 1.83 C ATOM 1276 C THR A 83 -27.360 -21.112 -21.957 1.00 2.01 C ATOM 1277 O THR A 83 -28.586 -21.205 -21.893 1.00 2.41 O ATOM 1278 CB THR A 83 -27.010 -19.455 -23.806 1.00 2.14 C ATOM 1279 OG1 THR A 83 -25.818 -19.548 -24.601 1.00 2.59 O ATOM 1280 CG2 THR A 83 -27.589 -18.053 -23.913 1.00 2.65 C ATOM 0 H THR A 83 -24.706 -19.955 -23.035 1.00 1.64 H new ATOM 0 HA THR A 83 -27.050 -19.008 -21.696 1.00 1.83 H new ATOM 0 HB THR A 83 -27.755 -20.162 -24.171 1.00 2.14 H new ATOM 0 HG1 THR A 83 -26.028 -19.329 -25.533 1.00 2.59 H new ATOM 0 HG21 THR A 83 -27.816 -17.832 -24.956 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.503 -17.991 -23.322 1.00 2.65 H new ATOM 0 HG23 THR A 83 -26.864 -17.330 -23.538 1.00 2.65 H new